1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-6,9-dicarboxylic acid 9-tert-butyl ester 6-methyl ester | 866566-25-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-6,9-dicarboxylic acid 9-tert-butyl ester 6-methyl ester
• 英文别名: 11-O-tert-butyl 4-O-methyl 11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4,11-dicarboxylate
• CAS: 866566-25-8
• 化学式: C₁₇H₂₁NO₄
• 分子量: 303.358
• InChiKey: WHZUODBJDUCBIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-6,9-dicarboxylic acid 9-tert-butyl ester 6-methyl ester 在 三乙基硼氢化锂 、 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以100%的产率得到6-hydroxymethyl-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylic acid 9-tert-butyl ester
  参考文献：
  名称：

  M3 muscarinic acetylchoine receptor antagonists

  摘要：

  提供了肌碱乙酰胆碱受体拮抗剂及其使用方法。

  公开号：

  US20070185148A1
• 作为产物：
  描述：

  9-(tert-butyl) 6-methyl-1,4-dihydro-1,4-epiminonaphthalene-6,9-dicarboxylate 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、379.22 kPa 条件下， 以98%的产率得到1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-6,9-dicarboxylic acid 9-tert-butyl ester 6-methyl ester
  参考文献：
  名称：

  M3 muscarinic acetylchoine receptor antagonists

  摘要：

  提供了肌碱乙酰胆碱受体拮抗剂及其使用方法。

  公开号：

  US20070185148A1

文献信息

• SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF
  申请人：Blackburn Christopher

  公开号：US20120015943A1

  公开（公告）日：2012-01-19

  This invention provides compounds of formula (I): wherein R 1 , R 1b , R 2a , R 2b , R 2c , and R 2d have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.

  本发明提供了公式(I)的化合物： 其中R1、R1b、R2a、R2b、R2c和R2d的值如说明书中所述，可用作HDAC6的抑制剂。本发明还提供了包含本发明化合物的药物组合物，以及使用这些组合物治疗增殖性、炎症性、感染性、神经性或心血管疾病或失调的方法。
• [EN] PLASMA KALLIKREIN INHIBITORS<br/>[FR] INHIBITEURS DE LA KALLICRÉINE PLASMATIQUE
  申请人：KALVISTA PHARMACEUTICALS LTD

  公开号：WO2021028645A1

  公开（公告）日：2021-02-18

  The present invention provides compounds of formula (I): (I) compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R5, R6, R7, A, B, W, X, Y and Z are as defined herein.

  本发明提供式(I)化合物：(I)包含此类化合物的组合物；此类化合物在治疗中的应用（例如在治疗或预防与血浆激肽释放酶活性相关的疾病或状况中的应用）；以及使用此类化合物治疗患者的方法；其中R5、R6、R7、A、B、W、X、Y和Z如本文所定义。
• SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF
  申请人：Blackburn Christopher

  公开号：US20140243335A1

  公开（公告）日：2014-08-28

  This invention provides compounds of formula (I): wherein R 1 , R 1b , R 2a , R 2b , R 2c , and R 2d have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.

  本发明提供了式（I）的化合物：其中R1、R1b、R2a、R2b、R2c和R2d的值如说明书中所述，可用作HDAC6的抑制剂。本发明还提供了包含本发明化合物的药物组合物以及使用该组合物治疗增生性、炎症性、感染性、神经系统或心血管疾病或疾患的方法。
• ENZYME INHIBITORS
  申请人：KalVista Pharmaceuticals Limited

  公开号：US20220048894A1

  公开（公告）日：2022-02-17

  The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R5, R6, R7, A, B, W, X, Y and Z are as defined herein.
• [EN] SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF<br/>[FR] ACIDES HYDROXAMIQUES SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：MILLENNIUM PHARM INC

  公开号：WO2012012322A1

  公开（公告）日：2012-01-26

  This invention provides compounds of formula (/): (Formula (I) wherein R1, R1b, R2a, R2b, R2c, and R2d have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.